4-(Methoxycarbonylmethyl)phenylboronic Acid Pinacol Ester - CAS 454185-98-9
Catalog: |
BB025857 |
Product Name: |
4-(Methoxycarbonylmethyl)phenylboronic Acid Pinacol Ester |
CAS: |
454185-98-9 |
Synonyms: |
2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]acetic acid methyl ester; methyl 2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]acetate |
IUPAC Name: | methyl 2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]acetate |
Description: | 4-(Methoxycarbonylmethyl)phenylboronic Acid Pinacol Ester (CAS# 454185-98-9) is a useful research chemical. |
Molecular Weight: | 276.14 |
Molecular Formula: | C15H21O4B |
Canonical SMILES: | B1(OC(C(O1)(C)C)(C)C)C2=CC=C(C=C2)CC(=O)OC |
InChI: | InChI=1S/C15H21BO4/c1-14(2)15(3,4)20-16(19-14)12-8-6-11(7-9-12)10-13(17)18-5/h6-9H,10H2,1-5H3 |
InChI Key: | NBPODFADVLNXKO-UHFFFAOYSA-N |
Boiling Point: | 363 °C at 760 mmHg |
Density: | 1.07 g/cm3 |
MDL: | MFCD09997797 |
LogP: | 1.70130 |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
KR-20210117194-A | Glp-1 receptor agonists, pharmaceutical composition comprising the same and method for preparing the same | 20200318 |
WO-2021187886-A1 | Glp-1 receptor agonist, pharmaceutical composition comprising same, and method for preparing same | 20200318 |
WO-2021160127-A1 | Heterocyclic glp-1 agonists | 20200213 |
KR-20210081286-A | Novel Amino Aryl Derivatives and Their Use as Inhibitors against Diacylglycerol Acyltransferase 2 | 20191223 |
WO-2021133035-A1 | Novel amino aryl derivative useful as diacylglycerol acyltransferase 2 inhibitor and use thereof | 20191223 |
Complexity: | 343 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 276.1532893 |
Formal Charge: | 0 |
Heavy Atom Count: | 20 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 276.1532893 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 44.8 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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